SCHEMBL8315233

SCHEMBL8315233

O=C1C(=Cc2ccc(Cl)s2)CCc2cc(OCCc3ncc[nH]3)ccc21

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
MIF P14174 9/20 0.41
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CYP19A1 P11511 2/20 0.39
ACHE P22303 3/20 0.37
BCHE P06276 2/20 0.37
CCNT1 O60563 1/20 0.36
CDK9 P50750 1/20 0.36
HASPIN Q8TF76 1/20 0.36
HTT P42858 1/20 0.36
CYP24A1 Q07973 1/20 0.35
MAOA P21397 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8315680 0.82 MIF (0.56) MEN1NPC1RAB9AKMT2AMIF
SCHEMBL6171587 0.82 MIF (0.39) MEN1NPC1RAB9AKMT2AMIF
SCHEMBL6171583 0.82 MIF (0.39) MEN1NPC1RAB9AKMT2AMIF
SCHEMBL8311413 0.81 MIF (0.44) MEN1NPC1RAB9AKMT2AMIF
SCHEMBL8310722 0.80 MIF (0.48) MEN1NPC1RAB9AKMT2AMIF
SCHEMBL8313933 0.79 MIF (0.45) MEN1NPC1RAB9AKMT2AMIF
SCHEMBL8314428 0.78 MIF (0.49) MEN1NPC1RAB9AKMT2AMIF
SCHEMBL6172716 0.78 CYP19A1 (0.48) MIFALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL6172721 0.78 CYP19A1 (0.48) MIFALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL8310575 0.78 CYP24A1 (0.52) MEN1NPC1RAB9AKMT2AMIF

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0966446-A1 BICYCLIC INHIBITORS OF PROTEIN FARNESYL TRANSFERASE WARNER-LAMBERT COMPANY (US) 1999-12-29 EP claimed
WO-1998034921-A1 BICYCLIC INHIBITORS OF PROTEIN FARNESYL TRANSFERASE WARNER-LAMBERT COMPANY (US) 1998-08-13 WO claimed
EP-0966446-A1 BICYCLIC INHIBITORS OF PROTEIN FARNESYL TRANSFERASE WARNER-LAMBERT COMPANY (US) 1999-12-29 EP disclosed
WO-1998034921-A1 BICYCLIC INHIBITORS OF PROTEIN FARNESYL TRANSFERASE WARNER-LAMBERT COMPANY (US) 1998-08-13 WO disclosed